Information card for entry 4339703

Structure parameters

• Formula: C82 H94 B2 Mo2 N14 O2 Pt S4
• Calculated formula: C82 H94 B2 Mo2 N14 O2 Pt S4
• SMILES: Cc1ccccc1.c1c(cccc1)C.[Pt]12(SC3=C(S1)[Mo]143(C#[O])(C#[N]c3c(cccc3C)C)[n]3n([BH](n5[n]1c(C)cc5C)n1[n]4c(C)cc1C)c(cc3C)C)SC1=C(S2)[Mo]231(C#[O])(C#[N]c1c(cccc1C)C)[n]1n([BH](n4[n]2c(C)cc4C)n2[n]3c(C)cc2C)c(cc1C)C.Cc1ccccc1.c1c(cccc1)C
• Title of publication: On the prospects of polynuclear complexes with acetylenedithiolate bridging units.
• Authors of publication: Seidel, Wolfram W.; Meel, Matthias J.; Radius, Udo; Schaffrath, Markus; Pape, Tania
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9616 - 9629
• a: 11.2664 ± 0.0015 Å
• b: 13.7944 ± 0.0018 Å
• c: 14.5269 ± 0.0019 Å
• α: 98.657 ± 0.003°
• β: 99.151 ± 0.003°
• γ: 108.727 ± 0.002°
• Cell volume: 2061.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No